Publications

MOF4AIR will result in several publications in high influence journals. You will find links to all these publications on this page.

A robust ultra-microporous cationic aluminum-based metal-organic framework with a flexible tetra-carboxylate linker

Shyamapada Nandi, Asma Mansouri, Iurii Dovgaliuk, Philippe Boullay, Gilles Patriarche, Ieuan Cornu, Pierre Florian, Georges Mouchaham, Christian Serre

[ Al-based cationic metal-organic frameworks (MOFs) are uncommon. Here, we report a cationic Al-MOF...]

Al-based cationic metal-organic frameworks (MOFs) are uncommon. Here, we report a cationic Al-MOF, MIP-213(Al) ([Al18(μ2-OH)24(OH2)12(mdip)6]6Cl·6H2O) constructed from flexible tetra-carboxylate ligand (5,5′-Methylenediisophthalic acid; H4mdip). Its crystal structure was determined by the combination of three-dimensional electron diffraction (3DED) and high-resolution powder X-ray diffraction. The structure is built from infinite corner-sharing chains of AlO4(OH)2 and AlO2(OH)3(H2O) octahedra forming an 18-membered rings honeycomb lattice, similar to that of MIL-96(Al), a scarce Al-polycarboxylate defective MOF. Despite sharing these structural similarities, MIP-213(Al), unlike MIL-96(Al), lacks the isolated μ3-oxo-bridged Al-clusters. This leads to an ordered defective cationic framework whose charge is balanced by Cl sandwiched between two Al-trimers at the corner of the honeycomb, showing strong interaction with terminal H2O coordinated to the Al-trimers. The overall structure is endowed by a narrow quasi-1D channel of dimension ~4.7 Å. The Cl in the framework restrains the accessibility of the channels, while the MOF selectively adsorbs CO2 over N2 and possesses high hydrolytic stability.

 Keywords: cationic Metal-Organic Framework (MOF), Aluminum-Based MOF, Crystal Structure Determination, CO2 Selective Adsorption, Hydrolytic Stability

A Scalable Robus Microporus AI-MOF for Post-Combustion Carbon Capture

Bingbing Chen, Dong Fan, Rosana V. Pinto, Iurii Dovgaliuk, Shyamapada Nandi,Debanjan Chakraborty, Nuria García-Moncada, Alexandre Vimont, Charles J. McMonagle, Marta Bordonhos, Abeer Al Mohtar, Ieuan Cornu, Pierre Florian, Nicolas Heymans, Marco Daturi, Guy De Weireld, Moisés Pinto, Farid Nouar, Guillaume Maurin, Georges Mouchaham, and Christian Serre

[Herein, a robust microporous aluminum tetracarboxylate framework,MIL-120(Al)-AP, (MIL, AP: Institute Lavoisier and Ambient Pressure synthesis...]

Herein, a robust microporous aluminum tetracarboxylate framework, MIL-120(Al)-AP, (MIL, AP: Institute Lavoisier and Ambient Pressure synthesis, respectively) is reported, which exhibits high CO2 uptake (1.9 mmol g−1 at 0.1 bar, 298 K). In situ Synchrotron X-ray diffraction measurements together with Monte Carlo simulations reveal that this structure offers a favorable CO2 capture configuration with the pores being decorated with a high density of μ2 -OH groups and accessible aromatic rings. Meanwhile, based on calculations and experimental evidence, moderate host-guest interactions Qst (CO2 ) value of MIL-120(Al)-AP (−40 kJ mol−1 ) is deduced, suggesting a relatively low energy penalty for full regeneration. Moreover, an environmentally friendly ambient pressure green route, relying on inexpensive raw materials, is developed to prepare MIL-120(Al)-AP at the kilogram scale with a high yield while the Metal- Organic Framework (MOF) is further shaped with inorganic binders as millimeter-sized mechanically stable beads. First evidences of its efficient CO 2 /N2 separation ability are validated by breakthrough experiments while operando IR experiments indicate a kinetically favorable CO2 adsorption over water. Finally, a techno-economic analysis gives an estimated production cost of ≈ 13 $ kg−1 , significantly lower than for other benchmark MOFs. These advancements make MIL-120(Al)-AP an excellent candidate as an adsorbent for industrial-scale CO2 capture processes.

 Keywords: CO2 capture, microporous framework, metal-organic framework

Comparison and optimization of CO2 purification units for CCS applications

 Lorenzo Sala, Syed Ali Zaryab, Paolo Chiesa, Emanuele Martelli

[Several promising CO2 capture technologies, like oxy-combustion, adsorption and membranes, feature a purity....]

Several promising CO2 capture technologies, like oxy-combustion, adsorption and membranes, feature a purity of the captured CO2 stream which is insufficient for the storage site or the transport system. In these cases, a CO2 Purification Unit (CPU) is required to lower the concentrations of O2, N2 and Ar at the limits allowed by the storage site/transport system. In this work, the available CO2 Purification processes have been reviewed and the six main schemes have been simulated in Aspen Plus and optimized. Their performance have been ranked based on six selected key performance indicators: total annual cost, Specific cost per ton of captured CO2, specific energy consumption, recovery, purity, and O2 concentration in the purified CO2. The techno-economic optimization is repeated for different carbon tax values and for three different feed streams compositions. The results of the optimization show that flash-based CPUs cannot meet the requirements for CO2 storage due to a high concentration of O2 (>1000 ppm) but they feature a low specific cost (5.8–25.9 €/tonCO2 depending on the feedgas and plant size), low specific energy consumption (124.9–436.1 kJ/tonCO2) and acceptable recovery (94.60–99.46 %). The distillation-based CPU can meet the requirements for CO2 storage, but these CPUs have the highest cost (52–112 % higher than flash-based CPU) and the lowest recovery. The optimal CPUs are the ones which combine both distillation column and flash separation. These CPUs meet the oxygen requirements for CO2 storage (<10 ppm) while providing the highest purity (99.997–99.999 %), high recovery (90.61–99.32 %) at a limited cost (6.1–36.0 euro/tonCO2).

 Keywords: CO2 capture, Process optimization, Oxy-combustion, Membranes, Adsorption, CO2 equation of states

A transnational study on the determinants of social acceptance of carbon capture, transport, and storage (CCS) 

Karytsas, S., Polyzou, O., Oikonomou, T.I., and Karytsas, C. 

[Carbon capture and storage (CCS) infrastructure is important for the fulfilment of GHG emissions mitigation targets. Despite its contribution....]

Carbon capture and storage (CCS) infrastructure is important for the fulfilment of GHG emissions mitigation targets. Despite its contribution to combating climate change, CCS remains a controversial technology often facing public resistance, making social acceptance a prerequisite for its further development. Hence, the MOF4AIR European project explores social issues related to CCS. A literature review was performed identifying the factors influencing CCS infrastructure social acceptance, while the research gaps concerning the themes under investigation were detected. In this context, the innovative elements this study aims to provide are: carrying out a transnational analysis in seven countries (Belgium, France, Greece, Italy, Norway, Turkey, and the UK), and examining factors (procedural and distributional justice, public engagement actions) that have not been adequately studied concerning CCS local acceptance. A questionnaire survey was carried out through an online platform in the seven countries, in January-February 2022; a representative sample of 1775 citizens (approx. 225 / country) was collected. The results of the survey indicated that the factors with a statistically significant effect on local acceptance of CCS infrastructure are country of origin, gender, age, self-perceived knowledge of CCS, attitudes towards negative consequences and potential benefits, trust of stakeholders and institutions, and procedural and distributional justice.

 Keywords: CCS, carbon capture, transport and storage, climate change, MOF4AIR, social acceptance

MOF4AIR project (H2020): Metal Organic Frameworks for Carbon Dioxide Adsorption Processes in Pwer Production and Energy Intensive Industries 

Nicolas Heymans, Marie-Eve Duprez, Guy De Weireld 

[Power generation and carbon-intensive industries are responsible of a large share of the anthropogenic CO2 emissions into the atmosphere...]

Power generation and carbon-intensive industries are responsible of a large share of the anthropogenic CO2 emissions into the atmosphere and play an important role in the greenhouse effect and global warming. Shifting towards a low-carbon economy needs, in addition to reductions at source and use of renewable energy, cost-effective novel carbon capture solution to be conceived, tested and deployed. Current mature solutions either suffer from elevated energy penalties and environmental impacts like in amines-based adsorption and lot of other solutions simply cannot offer sufficient performances. Adsorption processes are promising alternatives for capturing CO2 from power plants and other energy intensive industries as cement, steel or petrochemical industries.

 Keywords: adsorption processes, MOF, pilot units, CO2 capture

The MOF4AIR European project: Exploring the determinants of social
acceptance of Carbon Capture and Storage (CCS)

Spyridon Karytsas, Olympia Polyzou, Theni Oikonomou and Constantine Karytsas

[on Capture and Storage (CCS) is the process of capturing CO2 from power plants or energyintense industries and transferring ..]

arbon Capture and Storage (CCS) is the process of capturing CO2 from power plants or energyintense industries and transferring it to long-term geological storage systems, therefore assisting climate change mitigation efforts. Considering this, the technology continues to be questioned, with local opposition frequently encountered when individual projects are approved. As a result, societal acceptance is a critical component of the technology’s continued development and diffusion. In light of this, the MOF4AIR (Metal Organic Frameworks for Carbon Dioxide Adsorption in Power Production and Energy Intensive Industries) Horizon project (2019-2023) includes specific tasks linked to the investigation of CCS-associated societal concerns.

 Keywords: carbon, carbon capture and storage, carbon dioxide, climate change, energy, global climate, industry, international development, projects

Factors affecting public awareness and acceptance of co2 capture, transport and storage infrastructure: a transnational comparison

Spyridon Karytsas, Olympia Polyzou and Constantine Karytsas

[Carbon Capture and Storage (CCS) refers to the capture of carbon dioxide (CO2) from energy or heavy industry processes and its redirection to long-term geological storage structures...]

Carbon Capture and Storage (CCS) refers to the capture of carbon dioxide (CO2) from energy or heavy industry processes and its redirection to long-term geological storage structures (e.g. depleted oil wells). This way, CCS can contribute to global efforts to mitigate climate change. However, it remains a controversial technology that often faces public resistance in terms of acceptance of specific projects. Therefore, the fact that social acceptance of CCS infrastucture is a prerequisite for the further development and dissemination of this technology should not be overlooked.

 Keywords: carbon, carbon capture and storage, carbon dioxide, climate change, energy, global climate, industry, international development, projects

Policy Brief – Toward 2030: New pathways to CO2 capture

MOF4AIR, CARMOF & MEMBER projects

[CARMOF, MEMBER and MOF4AIR are three European-funded projects geared to demonstrate innovative CO2 capture technologies in real industrial conditions...]

CARMOF, MEMBER and MOF4AIR are three European-funded projects geared to demonstrate innovative CO2 capture technologies in real industrial conditions. Promising new material solutions are under development for the next generation of CCUS technologies that are expected to reach the markets in the next few years.
The CARMOF project group has come together under the umbrella of the Horizon Results Booster programme (HRB) of the European Commission to jointly collaborate on addressing common goals toward the 2050 targets of reducing CO2 emissions in energy-intensive companies.

 Keywords: Policy Brief, Horizon Results Booster (HRB), Carbon Capture, Utilisation and Storage (CCUS), Climate change, Carbon intensive industries. 

H2S Stability of Metal-Organic Frameworks: A Computational Assessment

Pengbo Lyu, Guillaume Maurin

[The H2S stability of a range of MOFs was systematically assessed by first-principle calculations. The most likely degradation mechanism was first determined and we identified the rate constant of the degradation reaction as a reliable descriptor for …]

The H2S stability of a range of MOFs was systematically assessed by first-principle calculations. The most likely degradation mechanism was first determined and we identified the rate constant of the degradation reaction as a reliable descriptor for characterizing the H2S stability of MOFs. A qualitative H2S stability ranking was thus established for the list of investigated materials. Elemental structure-stability relationships were further envisaged considering several variables including the nature of the linkers and their grafted functional groups, the pore size, the nature of metal sites and the presence/nature of coordinatively unsaturated sites. This knowledge enabled the anticipation of the H2S stability of one prototypical MOF, e.g. MIL-91(Ti), which has been previously proposed as a good candidate for CO2 capture. This computational strategy enables an accurate and easy handling assessment of the H2S stability of MOFs and offers a solid alternative to experimental characterizations that require the manipulation of a highly toxic and corrosive molecule.

Keywords: Metal-organic frameworks, Hydrogen disulfide, Prediction of stability, Understanding of Degradation Mechanism, Density Functional Theory.

Metal-Organic Frameworks (MOFs) – Fabrication, propriétés et applications

Farid NOUAR, Georges MOUCHACHAM, Christian SERRE

[Les Metal-Organic Frameworks (MOFs) sont des solides hybrides (organique/inorganique) micro- ou méso-poreux ordonnés. L’engouement scientifique et technologique pour cette famille de composés ne cesse de croître …]

Les Metal-Organic Frameworks (MOFs) sont des solides hybrides (organique/inorganique) micro- ou méso-poreux ordonnés. L’engouement scientifique et technologique pour cette famille de composés ne cesse de croître au vu de leur grande diversité chimique et structurale, et de leurs nombreuses applications potentielles. Cet article propose un aperçu global sur les MOFs, notamment sur leurs modes de synthèses et les méthodes de caractérisations, leurs structures, leurs propriétés aisément modulables ainsi que certains exemples représentatifs d’applications potentielles. De plus, leur mise à l’échelle à moindre coût par des procédés respectueux de l’environnement, ainsi que leur mise en forme sont discutées.

Keywords: Metal-organic frameworks, applications, solideux poreux, synthèse.

Reducing CO2 emissions in energy-intensive companies

MOF4AIR, CARMOF, MEMBER

[Carbon capture, utilisation and storage (CCUS) is a key element in the EU low-carbon policy. The European Union has created an ambitious objective to be climate neutral by 2050 …]

 Carbon capture, utilisation and storage (CCUS) is a key element in the EU low-carbon policy. The European Union has created an ambitious objective to be climate-neutral by 2050, that is, to be an economy with net-zero greenhouse gas emissions. The European Green Deal codifies this objective, and all economic sectors are participating in its realisation. In April 2021, the EU set a target of cutting carbon emissions by 55% by 2030. CARMOF, MEMBER and MOF4AIR are three European-funded projects developing new material and process solutions for the next generation of CO2 capture technologies that are expected to reach the market in the next few years.